butyl 4-(4-butoxycarbonylphenyl)sulfonylbenzoate

CAS: 3971-35-5

Molecular Formula	`C22H26O6S`
Molecular Weight	418.5 g/mol
LogP	6.3
Topological Polar Surface Area	95.1 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	12
Exact Mass	418.14502
Heavy Atoms	29
Complexity	560.0

Chemical Identifiers

CAS Number	3971-35-5
SMILES	`CCCCOC(=O)C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCCCC`
InChIKey	`DMHQQKCWHVVMKL-UHFFFAOYSA-N`

📖 Product Overview

butyl 4-(4-butoxycarbonylphenyl)sulfonylbenzoate (CAS: 3971-35-5) is a chemical compound with molecular formula C22H26O6S and molecular weight 418.5 g/mol. Its IUPAC systematic name is butyl 4-(4-butoxycarbonylphenyl)sulfonylbenzoate. LogP 6.3 Topological Polar Surface Area 95.1 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 6 Rotatable Bonds 12 Exact Mass 418.14502 Heavy Atoms 29 Complexity 560.0 InChI Key: DMHQQKCWHVVMKL-UHFFFAOYSA-N. SMILES: CCCCOC(=O)C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCCCC.

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